I'm sorry, phenix.refine seems to be treating the prolines entirely correctly. <div><br></div><div>Cheers,</div><div>Morten<br><br><div class="gmail_quote">On 4 May 2012 01:17, Nathaniel Echols <span dir="ltr"><<a href="mailto:nechols@lbl.gov" target="_blank">nechols@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">On Wed, May 2, 2012 at 9:20 AM, Morten Groftehauge<br>
<<a href="mailto:mortengroftehauge.work@gmail.com">mortengroftehauge.work@gmail.com</a>> wrote:<br>
> How does phenix.refine handle prolines in helices? When I look in high<br>
> resolution structures it seems that the carbonyl of the residue four<br>
> positions before the proline (also in the helix) should be more<br>
> perpendicular than parallel to the helix. This makes sense since there isn't<br>
> any nitrogen for it to hydrogen bond to.<br>
> But when I refine my structure it seems as if phenix.refine is trying to<br>
> push the carbonyl into parallel position. Am I imagining things? It's not<br>
> the best data and this is a troublesome region.<br>
<br>
</div>Are you using the secondary structure restraints? If so, it is likely<br>
a bug - could you please send me the input model (no data necessary<br>
for this)?<br>
<br>
thanks,<br>
Nat<br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>Morten K Grøftehauge, PhD <div>Pohl Group</div><div>Durham University</div><br>
</div>